5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one

C10H13BrN2OS — CID 114791238

IUPAC5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(SCC2CCCC2)c1Br
InChIInChI=1S/C10H13BrN2OS/c11-8-9(14)12-6-13-10(8)15-5-7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyCTUGEZPEINLTFU-UHFFFAOYSA-N
MW289.20 g/mol
LogP2.81
Rot. Bonds3

About 5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one

5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one (PubChem CID 114791238) has the molecular formula C10H13BrN2OS and a molecular weight of 289.20 g/mol. Its IUPAC name is 5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one
PubChem CID114791238
Molecular FormulaC10H13BrN2OS
Molecular Weight289.20 g/mol
Exact Mass287.99
IUPAC Name5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(SCC2CCCC2)c1Br
InChIInChI=1S/C10H13BrN2OS/c11-8-9(14)12-6-13-10(8)15-5-7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13,14)
InChIKeyCTUGEZPEINLTFU-UHFFFAOYSA-N
XLogP2.81
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.20
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-4-pentylsulfanyl-1H-pyrimidin-6-one
CID 107754009
5-bromo-4-(3-methylbutan-2-ylsulfanyl)-1H-pyrimidin-6-one
CID 107754028
5-bromo-4-(2-methylbutylsulfanyl)-1H-pyrimidin-6-one
CID 107754048
5-bromo-4-(3-methylbutylsulfanyl)-1H-pyrimidin-6-one
CID 107754065
5-bromo-4-butan-2-ylsulfanyl-1H-pyrimidin-6-one
CID 114791052
5-bromo-4-(2-methylpropylsulfanyl)-1H-pyrimidin-6-one
CID 114791055
5-bromo-4-butylsulfanyl-1H-pyrimidin-6-one
CID 114791095
5-bromo-4-cyclohexylsulfanyl-1H-pyrimidin-6-one
CID 114791113
5-bromo-4-(3-methylcyclohexyl)sulfanyl-1H-pyrimidin-6-one
CID 114791185
5-bromo-4-cyclopentylsulfanyl-1H-pyrimidin-6-one
CID 114791234
5-chloro-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one
CID 114791239
4-(cyclopentylmethylsulfanyl)-5-iodo-1H-pyrimidin-6-one
CID 114791240

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one (CID 114791238) is 5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one is O=c1[nH]cnc(SCC2CCCC2)c1Br.
What is the InChIKey of 5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one?
The InChIKey is CTUGEZPEINLTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2OS/c11-8-9(14)12-6-13-10(8)15-5-7-3-1-2-4-7/h6-7H,1-5H2,(H,12,13,14).
What are the key properties of 5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one?
5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one has a molecular weight of 289.20 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(cyclopentylmethylsulfanyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 114791238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).